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CHEBI:39729 - 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:39729
ChEBI Name5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC21H16FNO7
Net Charge0
Average Mass413.357
Monoisotopic Mass413.09108
SMILES[H]OC(=O)c1noc(-c2c([H])c(/C([H])=C(\[H])C([H])([H])Oc3c([H])c([H])c([H])c(O[H])c3C(=O)OC([H])([H])[H])c([H])c([H])c2F)c1[H]
InChIInChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+
InChIKeyQKHWJUMLYAYZFS-ONEGZZNKSA-N
ChEBI Ontology
Outgoing Relation(s)
5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID (CHEBI:39729) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-(2-fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl}phenyl)isoxazole-3-carboxylic acidPDBeChem
5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
234PDBeChem